1.0 2010-04-08 22:14:35 UTC 2019-11-26 03:17:51 UTC FDB019779 2-Heptyl-4,5-dimethylthiazole Volatile flavour component of fried chicken and cooked beef. 2-Heptyl-4,5-dimethylthiazole is found in animal foods. C12H21NS 211.367 211.139470367 2-heptyl-4,5-dimethyl-1,3-thiazole 2-heptyl-4,5-dimethyl-1,3-thiazole 87262-50-8 CCCCCCCC1=NC(C)=C(C)S1 InChI=1S/C12H21NS/c1-4-5-6-7-8-9-12-13-10(2)11(3)14-12/h4-9H2,1-3H3 PSZGSWWQPRJONL-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. 2,4,5-trisubstituted thiazoles are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only. 2,4,5-trisubstituted thiazoles Organic compounds Organoheterocyclic compounds Azoles Thiazoles Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds 2,4,5-trisubstituted 1,3-thiazole Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound logp 5.08 ALOGPS logs -4.46 ALOGPS solubility 7.34e-03 g/l ALOGPS logp 4.46 ChemAxon pka_strongest_basic 3.84 ChemAxon iupac 2-heptyl-4,5-dimethyl-1,3-thiazole ChemAxon average_mass 211.367 ChemAxon mono_mass 211.139470367 ChemAxon smiles CCCCCCCC1=NC(C)=C(C)S1 ChemAxon formula C12H21NS ChemAxon inchi InChI=1S/C12H21NS/c1-4-5-6-7-8-9-12-13-10(2)11(3)14-12/h4-9H2,1-3H3 ChemAxon inchikey PSZGSWWQPRJONL-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 62.99 ChemAxon polarizability 26.81 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 312637 Specdb::MsMs 312638 Specdb::MsMs 312639 Specdb::MsMs 357946 Specdb::MsMs 357947 Specdb::MsMs 357948 Specdb::MsMs 2826799 Specdb::MsMs 2826800 Specdb::MsMs 2826801 Specdb::MsMs 2856121 Specdb::MsMs 2856122 Specdb::MsMs 2856123 Specdb::CMs 20950 Specdb::CMs 137085 Specdb::CMs 144819 HMDB40092 #<Reference:0x000055ce304909e0>